fragmenstein/demo/mpro_mols/Mpro-x1093.mol
x1093
RDKit 3D
19 21 0 0 0 0 0 0 0 0999 V2000
13.7610 -1.3450 23.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3540 -0.9650 23.7110 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0350 1.3330 21.1460 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4970 -1.9030 22.9810 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8620 -0.1550 22.6190 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0450 -1.5150 23.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6760 0.3140 17.8150 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6930 0.8040 23.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6900 1.5040 18.5120 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1430 0.4010 23.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1030 0.1780 21.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3400 -0.9350 20.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4670 -0.3420 19.8030 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6780 -0.3650 18.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7970 0.7840 18.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 1.8510 19.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3640 1.5280 20.9110 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5140 0.8000 21.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2630 0.4030 20.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 4 1 0
4 6 1 0
5 6 1 0
5 8 1 0
2 10 1 0
8 10 1 0
3 11 2 0
5 11 1 0
11 12 1 0
12 13 1 0
7 14 1 0
13 14 2 0
7 15 1 0
9 15 2 0
9 16 1 0
16 17 2 0
17 18 1 0
13 19 1 0
15 19 1 0
18 19 2 0
M END